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Details

Stereochemistry ACHIRAL
Molecular Formula C27H20O8
Molecular Weight 472.4429
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3'-((2,4-DIMETHOXYPHENYL)METHYLENE)BIS(4-HYDROXY-2H-1-BENZOPYRAN-2-ONE)

SMILES

COC1=CC=C(C(C2=C(O)C3=C(OC2=O)C=CC=C3)C4=C(O)C5=C(OC4=O)C=CC=C5)C(OC)=C1

InChI

InChIKey=HYCWAXCIDJBIPL-UHFFFAOYSA-N
InChI=1S/C27H20O8/c1-32-14-11-12-15(20(13-14)33-2)21(22-24(28)16-7-3-5-9-18(16)34-26(22)30)23-25(29)17-8-4-6-10-19(17)35-27(23)31/h3-13,21,28-29H,1-2H3

HIDE SMILES / InChI

Molecular Formula C27H20O8
Molecular Weight 472.4429
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:13:46 GMT 2025
Edited
by admin
on Tue Apr 01 20:13:46 GMT 2025
Record UNII
MUG55G3HZ5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-373941
Preferred Name English
3,3'-((2,4-DIMETHOXYPHENYL)METHYLENE)BIS(4-HYDROXY-2H-1-BENZOPYRAN-2-ONE)
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 3,3'-((2,4-DIMETHOXYPHENYL)METHYLENE)BIS(4-HYDROXY-
Systematic Name English
COUMARIN, 3,3'-(2,4-DIMETHOXYBENZYLIDENE)BIS(4-HYDROXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
54690696
Created by admin on Tue Apr 01 20:13:46 GMT 2025 , Edited by admin on Tue Apr 01 20:13:46 GMT 2025
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FDA UNII
MUG55G3HZ5
Created by admin on Tue Apr 01 20:13:46 GMT 2025 , Edited by admin on Tue Apr 01 20:13:46 GMT 2025
PRIMARY
CAS
10172-78-8
Created by admin on Tue Apr 01 20:13:46 GMT 2025 , Edited by admin on Tue Apr 01 20:13:46 GMT 2025
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NSC
373941
Created by admin on Tue Apr 01 20:13:46 GMT 2025 , Edited by admin on Tue Apr 01 20:13:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID70144142
Created by admin on Tue Apr 01 20:13:46 GMT 2025 , Edited by admin on Tue Apr 01 20:13:46 GMT 2025
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